Vitas-M small molecule compound

8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK853270
SMILES CC1OC(C)CN(C1)Cc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H26FN5O3 MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26FN5O3/c1-13-9-26(10-14(2)30-13)12-17-23-19-18(20(28)25(4)21(29)24(19)3)27(17)11-15-5-7-16(22)8-6-15/h5-8,13-14H,9-12H2,1-4H3
InChIKey
ZLKNMMMQFFJDSU-UHFFFAOYSA-N
Synonyms
851937-94-5
8((26DIMETHYLMORPHOLIN4YL)METHYL)7((4FLUOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((26DIMETHYLMORPHOLIN4YL)METHYL)7((4FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((26dimethylmorpholin4yl)methyl)7(4fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((26dimethylmorpholino)methyl)7(4fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
851937945
CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C
InChI=1SC21H26FN5O3c113926(1014(2)3013)1217231918(20(28)25(4)21(29)24(19)3)27(17)11155716(22)8615h581314H912H214H3
MFCD04466297
ZINC000013483506
ZINC000020029278

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.